Geometry & MOs

Info

ID:	398610
PubChem CID:	135034251
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	337.053942
ΔH_f, kcal/mol:	-32.59
Dipole, Da:	2.5
IP(EA), eV:	-9.42(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(4-chlorophenyl)-ethyl-oxo-lambda6-sulfanylidene]carbamate

Drug info:

PubChemData

Smile

C[C@@H](CO)/C=C/C(C)C1=CC=CC=C1

DOS

IR

Vibrations